3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one

C16H10Cl2N6O — CID 56638070

IUPAC3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nnnn2Cc2ccc(Cl)c(Cl)c2)cnc2ccccn12
InChIInChI=1S/C16H10Cl2N6O/c17-12-5-4-10(7-13(12)18)9-24-15(20-21-22-24)11-8-19-14-3-1-2-6-23(14)16(11)25/h1-8H,9H2
InChIKeyDSVSAAWJSBZWIZ-UHFFFAOYSA-N
MW373.20 g/mol
LogP2.70
Rot. Bonds3

About 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one

3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56638070) has the molecular formula C16H10Cl2N6O and a molecular weight of 373.20 g/mol. Its IUPAC name is 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56638070
Molecular FormulaC16H10Cl2N6O
Molecular Weight373.20 g/mol
Exact Mass372.03
IUPAC Name3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nnnn2Cc2ccc(Cl)c(Cl)c2)cnc2ccccn12
InChIInChI=1S/C16H10Cl2N6O/c17-12-5-4-10(7-13(12)18)9-24-15(20-21-22-24)11-8-19-14-3-1-2-6-23(14)16(11)25/h1-8H,9H2
InChIKeyDSVSAAWJSBZWIZ-UHFFFAOYSA-N
XLogP2.70
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dichlorobenzyl)-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-2(1H)-pyridinone
CID 2766617
3-[2-[(3,4-Dichlorophenyl)methyl]tetrazol-5-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 19001428
3-[1-[(3,4-Dichlorophenyl)methyl]tetrazol-5-yl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 19001447
3-[2-[(4-Chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
CID 56605665
3-[1-[(4-Chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
CID 56624535
3-[2-[(3,4-Dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
CID 67812606
3-[4-allyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-(3,4-dichlorobenzyl)-2(1H)-pyridinone
CID 2766647
2-[[5-(3,4-Dichlorophenyl)-3-methyl-1,2,4-triazol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60247745
4-[[5-(3,4-Dichlorophenyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-1-methylpyridin-2-one
CID 167828779

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one (CID 56638070) is 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2nnnn2Cc2ccc(Cl)c(Cl)c2)cnc2ccccn12.
What is the InChIKey of 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DSVSAAWJSBZWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N6O/c17-12-5-4-10(7-13(12)18)9-24-15(20-21-22-24)11-8-19-14-3-1-2-6-23(14)16(11)25/h1-8H,9H2.
What are the key properties of 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 373.20 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56638070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).